N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine

C14H9ClFN3O2S2 — CID 73296375

IUPACN-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(Nc2nncs2)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H9ClFN3O2S2/c15-12-7-9(16)1-6-13(12)23(20,21)11-4-2-10(3-5-11)18-14-19-17-8-22-14/h1-8H,(H,18,19)
InChIKeyTXNOSKGLWXEJOQ-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.91
Rot. Bonds4

About N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine

N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 73296375) has the molecular formula C14H9ClFN3O2S2 and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
PubChem CID73296375
Molecular FormulaC14H9ClFN3O2S2
Molecular Weight369.83 g/mol
Exact Mass368.98
IUPAC NameN-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(Nc2nncs2)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H9ClFN3O2S2/c15-12-7-9(16)1-6-13(12)23(20,21)11-4-2-10(3-5-11)18-14-19-17-8-22-14/h1-8H,(H,18,19)
InChIKeyTXNOSKGLWXEJOQ-UHFFFAOYSA-N
XLogP3.91
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine (CID 73296375) is N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine is O=S(=O)(c1ccc(Nc2nncs2)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is TXNOSKGLWXEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2S2/c15-12-7-9(16)1-6-13(12)23(20,21)11-4-2-10(3-5-11)18-14-19-17-8-22-14/h1-8H,(H,18,19).
What are the key properties of N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 369.83 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 73296375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).